Multisliced gausslet basis sets for electronic structure

@article{White2018MultislicedGB,
  title={Multisliced gausslet basis sets for electronic structure},
  author={S. White and E. M. Stoudenmire},
  journal={Physical Review B},
  year={2018},
  volume={99},
  pages={081110}
}
  • S. White, E. M. Stoudenmire
  • Published 2018
  • Physics, Chemistry
  • Physical Review B
  • We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gausslets, recently introduced wavelet-like smooth orthogonal functions. We adapt the gausslets to particular systems using one dimensional coordinate transformations, putting more basis functions near nuclei, while maintaining orthogonality. Three dimensional basis functions are composed out of products of the 1D… CONTINUE READING

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